[9-[(4-methoxyphenyl)methyl]purin-6-yl]-methyl-azanium chloride

Systemtic Name: [9-[(4-methoxyphenyl)methyl]purin-6-yl]-methyl-azanium chloride Openeye Name: [9-[(4-methoxyphenyl)methyl]purin-6-yl]-methyl-ammonium chloride CAS Name: [9-[(4-methoxyphenyl)methyl]-6-purinyl]-methylammonium chloride IUPAC Name: [9-[(4-methoxyphenyl)methyl]purin-6-yl]-methylazanium chloride Traditional Name: methyl-(9-p-anisylpurin-6-yl)ammonium chloride Formula: C14H16ClN5O MolecularWeight: 305.76274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)OC.[Cl-]

Isomeric SMILES

C[NH2+]C1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)OC.[Cl-]

InChI

InChI=1S/C14H15N5O.ClH/c1-15-13-12-14(17-8-16-13)19(9-18-12)7-10-3-5-11(20-2)6-4-10;/h3-6,8-9H,7H2,1-2H3,(H,15,16,17);1H